2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol

C9H13NO3S — CID 126975841

IUPAC2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol
SMILESCOC1(c2nc(O)cs2)CCOCC1
InChIInChI=1S/C9H13NO3S/c1-12-9(2-4-13-5-3-9)8-10-7(11)6-14-8/h6,11H,2-5H2,1H3
InChIKeyHDWZVNCOBJQCME-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.50
Rot. Bonds2

About 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol

2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol (PubChem CID 126975841) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol
PubChem CID126975841
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol
SMILESCOC1(c2nc(O)cs2)CCOCC1
InChIInChI=1S/C9H13NO3S/c1-12-9(2-4-13-5-3-9)8-10-7(11)6-14-8/h6,11H,2-5H2,1H3
InChIKeyHDWZVNCOBJQCME-UHFFFAOYSA-N
XLogP1.50
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Bromo-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 18996256
4-(4-methylthiazol-2-yl)tetrahydro-2H-pyran-4-ol
CID 86176313
4-(4-Bromo-1,3-thiazol-2-yl)oxan-4-ol
CID 114684160
2-(4-Ethoxyoxan-4-yl)-4-methyl-1,3-thiazole
CID 116782646
2-(4-Methoxyoxan-4-yl)-4-methyl-1,3-thiazole
CID 116782651
2-(Oxan-4-yl)-1,3-thiazol-4-ol
CID 116889850
4-Methoxy-2-(oxan-4-yl)-1,3-thiazole
CID 116891853
4-(4-Bromo-1,3-thiazol-2-yl)-3-methyloxan-4-ol
CID 130491477
2-(2-Methyloxolan-2-yl)-1,3-thiazol-4-ol
CID 130501337
2-(2-Ethoxypropan-2-yl)-1,3-thiazol-4-ol
CID 130501344
2-[Cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol
CID 130501378
2-(1-Methoxycyclobutyl)-1,3-thiazol-4-ol
CID 130501398

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol (CID 126975841) is 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol is COC1(c2nc(O)cs2)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol?
The InChIKey is HDWZVNCOBJQCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-12-9(2-4-13-5-3-9)8-10-7(11)6-14-8/h6,11H,2-5H2,1H3.
What are the key properties of 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol?
2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol has a molecular weight of 215.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 126975841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).